6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one

C14H18N2O5 — CID 135409305

IUPAC6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one
SMILESCOCCOc1cc2nc[nH]c(=O)c2cc1OCCOC
InChIInChI=1S/C14H18N2O5/c1-18-3-5-20-12-7-10-11(15-9-16-14(10)17)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyPMQWTUWLIGJTQD-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.97
Rot. Bonds8

About 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one

6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one (PubChem CID 135409305) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one
PubChem CID135409305
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one
SMILESCOCCOc1cc2nc[nH]c(=O)c2cc1OCCOC
InChIInChI=1S/C14H18N2O5/c1-18-3-5-20-12-7-10-11(15-9-16-14(10)17)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyPMQWTUWLIGJTQD-UHFFFAOYSA-N
XLogP0.97
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one?
The IUPAC name of 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one (CID 135409305) is 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one?
The canonical SMILES for 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one is COCCOc1cc2nc[nH]c(=O)c2cc1OCCOC.
What is the InChIKey of 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one?
The InChIKey is PMQWTUWLIGJTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-18-3-5-20-12-7-10-11(15-9-16-14(10)17)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one?
6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one has a molecular weight of 294.31 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one is sourced from PubChem (CID 135409305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).